CID 21187505

3,6-dichloro-4,5-dimethylpyridazine

Structural Information

Molecular Formula
C6H6Cl2N2
SMILES
CC1=C(C(=NN=C1Cl)Cl)C
InChI
InChI=1S/C6H6Cl2N2/c1-3-4(2)6(8)10-9-5(3)7/h1-2H3
InChIKey
RUVVGCRPPJVNMC-UHFFFAOYSA-N
Compound name
3,6-dichloro-4,5-dimethylpyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

317
Patents

175.9908 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.998076 128.9
[M+Na]+ 198.980018 141.3
[M-H]- 174.983524 129.8
[M+NH4]+ 194.024623 148.4
[M+K]+ 214.953958 136.8
[M+H-H2O]+ 158.988060 123.7
[M+HCOO]- 220.989001 141.8
[M+CH3COO]- 235.004651 179.8
[M+Na-2H]- 196.965466 135.4
[M]+ 175.99025142 132.3
[M]- 175.99134858 132.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe